3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone

C21H20ClNO — CID 11551795

IUPAC3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone
SMILESO=C(N1CC2Cc3ccccc3C2C1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H20ClNO/c22-17-7-5-16(6-8-17)21(9-10-21)20(24)23-12-15-11-14-3-1-2-4-18(14)19(15)13-23/h1-8,15,19H,9-13H2
InChIKeyCGHZLJNOPXYDNQ-UHFFFAOYSA-N
MW337.85 g/mol
LogP4.17
Rot. Bonds2

About 3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone

3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone (PubChem CID 11551795) has the molecular formula C21H20ClNO and a molecular weight of 337.85 g/mol. Its IUPAC name is 3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone
PubChem CID11551795
Molecular FormulaC21H20ClNO
Molecular Weight337.85 g/mol
Exact Mass337.12
IUPAC Name3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone
SMILESO=C(N1CC2Cc3ccccc3C2C1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H20ClNO/c22-17-7-5-16(6-8-17)21(9-10-21)20(24)23-12-15-11-14-3-1-2-4-18(14)19(15)13-23/h1-8,15,19H,9-13H2
InChIKeyCGHZLJNOPXYDNQ-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone with MolForge

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Related Compounds

Spiro-carboxamide scaffold, 2
CID 44143288
Spiro-carboxamide scaffold, 3
CID 44143289
Spiro-carboxamide scaffold, 5
CID 44143291
Spiro-carboxamide scaffold, 6
CID 44143292
Spiro-carboxamide scaffold, 9
CID 44143295
1,3,3a,4,5,9b-Hexahydrobenzo[e]isoindol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone
CID 11544850
[1-(4-Chlorophenyl)cyclopropyl]-(4-phenylpiperidin-1-yl)methanone
CID 11588129
1-{[1-(4-Chlorophenyl)cyclopropyl]carbonyl}-2-phenylpyrrolidine
CID 11595023
1-{[1-(4-Chlorophenyl)cyclopropyl]carbonyl}-3-(2-methylphenyl)pyrrolidine
CID 11609792
[1-(4-Chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 11638939
[1-(4-Chlorophenyl)cyclopropyl]-(3-phenylpyrrolidin-1-yl)methanone
CID 11659861
[1-(4-Chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone
CID 11667635

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone?
The IUPAC name of 3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone (CID 11551795) is 3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone.
What is the SMILES notation for 3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone?
The canonical SMILES for 3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone is O=C(N1CC2Cc3ccccc3C2C1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone?
The InChIKey is CGHZLJNOPXYDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO/c22-17-7-5-16(6-8-17)21(9-10-21)20(24)23-12-15-11-14-3-1-2-4-18(14)19(15)13-23/h1-8,15,19H,9-13H2.
What are the key properties of 3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone?
3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone has a molecular weight of 337.85 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 11551795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).